N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide

C13H13N5O2S3 — CID 2301870

IUPACN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCSc1nnnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C13H13N5O2S3/c19-23(20,12-7-4-9-21-12)14-8-10-22-13-15-16-17-18(13)11-5-2-1-3-6-11/h1-7,9,14H,8,10H2
InChIKeyBPMFLHUOPFEGTO-UHFFFAOYSA-N
MW367.48 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide

N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide (PubChem CID 2301870) has the molecular formula C13H13N5O2S3 and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide
PubChem CID2301870
Molecular FormulaC13H13N5O2S3
Molecular Weight367.48 g/mol
Exact Mass367.02
IUPAC NameN-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCSc1nnnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C13H13N5O2S3/c19-23(20,12-7-4-9-21-12)14-8-10-22-13-15-16-17-18(13)11-5-2-1-3-6-11/h1-7,9,14H,8,10H2
InChIKeyBPMFLHUOPFEGTO-UHFFFAOYSA-N
XLogP1.79
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 8189722
N-{2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl}methanesulfonamide
CID 2222244
5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 2539283
3-Methyl-4-tetrazol-1-yl-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 1442070
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2062920
4-fluoro-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzenesulfonamide
CID 2222606
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)thiophene-2-sulfonamide
CID 16799324
5-chloro-N-[2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide
CID 4963502
N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-5-ethylthiophene-2-sulfonamide
CID 16825891
5-ethyl-N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)thiophene-2-sulfonamide
CID 16825895
5-ethyl-N-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)thiophene-2-sulfonamide
CID 41568622
N-(1-phenyl-1,2,4-triazol-3-yl)thiophene-2-sulfonamide
CID 75476470

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide (CID 2301870) is N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide is O=S(=O)(NCCSc1nnnn1-c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide?
The InChIKey is BPMFLHUOPFEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S3/c19-23(20,12-7-4-9-21-12)14-8-10-22-13-15-16-17-18(13)11-5-2-1-3-6-11/h1-7,9,14H,8,10H2.
What are the key properties of N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide?
N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide has a molecular weight of 367.48 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2301870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).